6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione

C9H9N3O2 — CID 160936110

IUPAC6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1cc2c(=O)[nH]cnc2n(C)c1=O
InChIInChI=1S/C9H9N3O2/c1-5-3-6-7(12(2)9(5)14)10-4-11-8(6)13/h3-4H,1-2H3,(H,10,11,13)
InChIKeySTWVUAGIXIIMCN-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.07
Rot. Bonds

About 6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione

6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 160936110) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID160936110
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1cc2c(=O)[nH]cnc2n(C)c1=O
InChIInChI=1S/C9H9N3O2/c1-5-3-6-7(12(2)9(5)14)10-4-11-8(6)13/h3-4H,1-2H3,(H,10,11,13)
InChIKeySTWVUAGIXIIMCN-UHFFFAOYSA-N
XLogP-0.07
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione (CID 160936110) is 6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione is Cc1cc2c(=O)[nH]cnc2n(C)c1=O.
What is the InChIKey of 6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is STWVUAGIXIIMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-5-3-6-7(12(2)9(5)14)10-4-11-8(6)13/h3-4H,1-2H3,(H,10,11,13).
What are the key properties of 6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione?
6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 191.19 g/mol, XLogP of -0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 160936110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).